ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
45238646 | CNC(=O)c1nc2c([nH]1)cccc2C | Formula:C10H11N3O Mol: 189.21 Heavy atoms:14 Aromatic heavy atoms: 9 Fraction Csp3: 0.20 Rotatable bonds: 2 H-bond acceptors: 2 H-bond donors: 2 MR: 54.06 TPSA: 57.78 | ILOGP:1.81 XLOGP3: 1.46 WLOGP: 1.23 MLOGP: 0.80 Silicos ITLogP: 1.98 Consensus LogP: 1.46 | ESOL LogS:-2.28 Solubility(mg/ml): 1.000000 Solubility(mol/l):0.005290 Class:Soluble Ali LogS:-2.28 Solubility(mg/ml): 0.994000 Solubility(mol/l): 0.005250 Class:Soluble SilicosIT LogS:-3.69 Solubility(mg/ml): 0.038800 Solubility(mol/l): 0.000205 Class:Soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.42 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.64 |